Geometry & MOs

Info

ID:	174195
PubChem CID:	75738594
Reduced:	ClO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	396.217483
ΔH_f, kcal/mol:	-71.77
Dipole, Da:	4.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753413
Charge, e:	1

Chem-info

IUPAC name:

1'-[2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C2C[NH+](CC3C2NNC3=O)CC4CCCO4

DOS

IR

Vibrations